cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine

C12H16FNS — CID 11962916

IUPACcis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](CSc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNS/c13-10-2-5-12(6-3-10)15-8-9-1-4-11(14)7-9/h2-3,5-6,9,11H,1,4,7-8,14H2/t9-,11+/m1/s1
InChIKeyHQSUZZMZOPEDCR-KOLCDFICSA-N
MW225.33 g/mol
LogP3.05
Rot. Bonds3

About cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine

cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine (PubChem CID 11962916) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine
PubChem CID11962916
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Namecis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](CSc2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNS/c13-10-2-5-12(6-3-10)15-8-9-1-4-11(14)7-9/h2-3,5-6,9,11H,1,4,7-8,14H2/t9-,11+/m1/s1
InChIKeyHQSUZZMZOPEDCR-KOLCDFICSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine (CID 11962916) is cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine is N[C@H]1CC[C@@H](CSc2ccc(F)cc2)C1.
What is the InChIKey of cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine?
The InChIKey is HQSUZZMZOPEDCR-KOLCDFICSA-N. The full InChI is InChI=1S/C12H16FNS/c13-10-2-5-12(6-3-10)15-8-9-1-4-11(14)7-9/h2-3,5-6,9,11H,1,4,7-8,14H2/t9-,11+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine?
cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4-fluorophenyl)sulfanylmethyl]cyclopentan-1-amine is sourced from PubChem (CID 11962916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).